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FGFR-IN-1

CAT: 0607-BA8935-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8935-50Size:50 mg
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CAS Number
1513860-41-7
Form
A solid
Molecular Formula
C26H24F2N4O6S
Molecular Weight
558.55
Shipping Conditions
Blue ice
Storage Conditions
4°C, desiccated and protect from light.

Chemical Information

3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(hydroxymethyl)-7-(phenylsulfonyl)-1,3,4,7-tetrahydro-2H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2-one
CAS Number1513860-41-7
PubChem CID86705736
IUPAC Name5-(benzenesulfonyl)-11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-ethyl-4-(hydroxymethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one
Molecular FormulaC26H24F2N4O6S
Molecular Weight558.6
XLogP2.7
Topological Polar Surface Area123
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity966
SMILES
CCN1C2=C3C=C(N(C3=NC=C2CN(C1=O)C4=C(C(=CC(=C4F)OC)OC)F)S(=O)(=O)C5=CC=CC=C5)CO
InChI
InChI=1S/C26H24F2N4O6S/c1-4-30-23-15(13-31(26(30)34)24-21(27)19(37-2)11-20(38-3)22(24)28)12-29-25-18(23)10-16(14-33)32(25)39(35,36)17-8-6-5-7-9-17/h5-12,33H,4,13-14H2,1-3H3
InChIKey
XQTMSAUAYGJJKA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(hydroxymethyl)-7-(phenylsulfonyl)-1,3,4,7-tetrahydro-2H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2-one
CAS: 1513860-41-7
CID: 86705736
Formula: C26H24F2N4O6S
MW: 558.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight558.6
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass558.13846200
Monoisotopic Mass558.13846200
Topological Polar Surface Area123 Ų
Heavy Atom Count39
Formal Charge0
Complexity966
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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